Match comparison for Energy [step 1] (match type 14077)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 05-time_propagation.05-td_md.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.791009280177000e+01 1.900000000000000e-10 -3.791009280177384e+01 8.113110003669445e-14 -3.791009280177384e+01 1.101341240428155e-13 PASS
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Detailed information

Reference: -37.91009280177, precision: 0.00000000019
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2023a_serial_min -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2022a_serial_opt -3.791009280177379e+01 -3.794298208958935e-12 -1.996999057346808e-02 PASS
spack_foss-2022a_serial -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2022a_ppc -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2022a_mpi_min -3.791009280177395e+01 -3.950617610826157e-12 -2.079272426750609e-02 PASS
spack_foss-2023a_mpi_min -3.791009280177395e+01 -3.950617610826157e-12 -2.079272426750609e-02 PASS
spack_foss-2022a_serial_debug -3.791009280177379e+01 -3.787192781601334e-12 -1.993259358737544e-02 PASS
spack_foss-2022a_mpi_opt -3.791009280177394e+01 -3.943512183468556e-12 -2.075532728141346e-02 PASS
spack_intel-2022a_serial_omp -3.791009280177383e+01 -3.829825345746940e-12 -2.015697550393127e-02 PASS
spack_foss-2022a_mpi -3.791009280177395e+01 -3.950617610826157e-12 -2.079272426750609e-02 PASS
spack_foss-2022a_cuda_serial -3.791009280177380e+01 -3.801403636316536e-12 -2.000738755956072e-02 PASS
spack_intel-2023a_impi -3.791009280177374e+01 -3.737454790098127e-12 -1.967081468472699e-02 PASS
spack_foss-2022a_mpi_debug -3.791009280177395e+01 -3.950617610826157e-12 -2.079272426750609e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.791009280177391e+01 -3.915090474038152e-12 -2.060573933704291e-02 PASS
spack_intel-2022a_impi_omp -3.791009280177373e+01 -3.730349362740526e-12 -1.963341769863435e-02 PASS